Magic compositions in Pd-Au nanoalloys
文献类型：期刊论文
| 作者 | Zhu, BE; Front, A; Guesmi, H; Creuze, J; Legrand, B; Mottet, C |
| 刊名 | COMPUTATIONAL AND THEORETICAL CHEMISTRY
 |
| 出版日期 | 2017 |
| 卷号 | 1107页码:49-56 |
| 关键词 | Monte Carlo Simulations Metallic Alloy Nanoparticles Surface Segregation Chemical Ordering |
| ISSN号 | 2210-271X |
| DOI | 10.1016/j.comptc.2016.12.023 |
| 文献子类 | 期刊论文 |
| 英文摘要 | We identified new magic compositions of Pd-Au nanolloys of simple symmetries according to the icosa-hedral and the cubic truncated octahedral structures. Chemically ordered structures as well as segregated ones are characterized using Monte Carlo simulations in semi-grand canonical ensemble and tight binding semi-empirical potential fitted to ab initio calculations for the Pd-Au system. Ordering and surface (or core) segregation phenomena can be distinguished by their behavior as a function of the temperature: chemical ordering at surface or in the core disappears above a critical temperature (which is lower or equal to the bulk alloy order-disorder temperature), whereas surface/core segregation (core-shell structures) remains at high temperature, although the interfacial profile is less abrupt. (C) 2016 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000400717800007 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/27370]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Zhu, BE,Front, A,Guesmi, H,et al. Magic compositions in Pd-Au nanoalloys[J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY,2017,1107:49-56. |
| APA | Zhu, BE,Front, A,Guesmi, H,Creuze, J,Legrand, B,&Mottet, C.(2017).Magic compositions in Pd-Au nanoalloys.COMPUTATIONAL AND THEORETICAL CHEMISTRY,1107,49-56. |
| MLA | Zhu, BE,et al."Magic compositions in Pd-Au nanoalloys".COMPUTATIONAL AND THEORETICAL CHEMISTRY 1107(2017):49-56. |
入库方式： OAI收割
来源：上海应用物理研究所
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